>compound Mifepristone
>formula C29H35NO2
>parentmass 430.273844773494
>charge 1

>ms1peaks
134.094332684573 0.510764
162.126317408602 0.580896
429.269184075443 5.92935
430.27395230464 100.0
430.893402247616 0.529424

>collision 10.0
122.096306297808 0.500447
134.098874692739 0.907771
172.102665937065 0.538937
187.108731407608 0.684353
263.134682576503 0.528348
269.152041483521 0.78667
309.184061953682 1.44027
351.963650758296 0.616923
372.230957535174 1.97577
429.262781958499 3.44144
430.273844773494 100.0
430.44097134038 0.950406
430.628963621723 0.555824
430.676684485756 0.507109
430.982867804811 0.751397
431.136568190343 0.661105

>collision 20.0
38.9628137460434 0.651898
79.0545374657907 0.671195
90.9813597182799 1.22252
91.056379042725 0.987893
93.069816338716 0.74167
97.0626855728478 1.38831
105.075790136265 0.565482
109.068170011937 0.877485
121.087513201882 2.80649
122.095661715166 5.14449
123.079217631713 1.63176
133.027028268634 0.617499
133.064526407844 1.32075
133.096390377616 1.4134
134.096099392324 13.2087
135.081348406052 1.55742
143.085634378572 0.836165
145.097883471607 1.26835
148.110898833441 4.18557
149.095701967772 1.08789
157.063346555086 0.59394
158.099763649647 0.927044
159.026156564017 0.572753
159.083970173003 1.15459
160.10905153792 2.3281
161.095715995318 3.2016
162.125121125055 4.98311
162.95792036354 0.740871
163.11399970433 1.50356
164.101916694746 0.576717
169.104787830936 0.819266
172.083386297862 1.14826
172.114829326253 0.546278
173.097227462175 1.74721
174.12382687741 2.24258
181.104349596599 0.578674
185.085827170015 0.943668
186.124345361224 1.90428
188.139649821698 1.15353
189.130629691771 0.767074
197.086583698892 0.597363
197.126527770708 0.639581
199.109709323749 1.28874
200.139309922703 0.698749
201.122268414159 1.43745
209.119254036818 1.75954
211.111920141535 1.20818
212.141599290479 1.78541
213.1493729617 0.658991
214.149065938242 0.641364
215.10792169271 1.00196
218.153503973448 0.694839
223.11608368698 1.30347
225.127099797854 1.58402
226.153856809987 0.69972
227.098266053024 1.13175
227.146764917544 2.23215
228.13305181182 1.28869
235.116392922897 0.93113
236.143129226187 2.00719
239.137956492506 0.970086
242.152781005167 0.645093
243.149722686388 1.07939
249.133319224258 0.765535
251.038594155268 1.02405
255.132425933889 0.758253
256.172370843251 1.19373
262.159085704181 0.825159
263.133190998283 0.723294
264.174002460221 1.51522
265.155028127159 1.3898
266.192993542339 2.17965
267.165052507849 2.1242
268.160116084647 1.50218
269.155110854551 3.24161
276.17062632959 0.728179
278.191404488753 1.11592
280.168162646027 2.94111
281.168249854935 1.76787
282.184516723034 1.79436
284.204283455551 1.03889
288.171216266287 0.543058
291.166640764559 2.12369
306.183755325572 1.09918
308.186229197293 0.774941
309.186126949801 3.80493
310.220387005677 0.910907
326.175311907935 0.6701
332.200549289243 0.752018
346.229030200317 1.08305
348.230854052694 1.26198
354.233121349549 0.985155
360.227645057507 1.4374
372.230609300414 19.8646
388.221495246025 0.970752
402.270282945699 0.833959
412.263774797276 3.56779
413.000402154379 0.704401
415.252147469497 3.97995
427.447819579886 0.63641
429.271120575088 1.58086
430.273700643939 100.0
430.403948772506 0.644734
430.454441456835 0.553132
431.273347804816 0.768153

>collision 40.0
43.0179541197646 8.07861
43.0545689242062 8.47812
65.0355751536577 16.4213
67.062435327571 8.28784
77.0436181649364 5.11449
79.0531680901616 32.5039
91.052938898791 20.5534
97.0659290081438 6.45319
103.04992236738 6.24373
105.070442173246 35.5022
107.083079715825 18.012
115.05165837431 16.2501
117.066235001571 5.58564
118.068554594223 7.85714
119.085543057618 29.8015
120.080328735927 7.63802
121.090096999111 25.8733
122.095645319694 29.9308
123.080324924506 6.10424
128.062962258804 9.50623
129.070441174806 21.889
131.08176395462 16.6555
132.079819291334 7.26784
133.063197747042 12.497
134.095481191548 100.0
135.079557216969 21.3058
136.112312776192 7.79833
137.093326878571 8.20786
141.074868768109 4.8636
144.078929964786 6.66966
145.064157408382 27.7408
145.096579898346 25.3389
146.088516146266 8.0708
147.090464051665 14.0518
148.112455439906 50.2907
149.092866641892 11.5088
155.08139681682 4.79225
157.059319369742 9.37065
157.101378225584 13.1032
158.093930548756 12.8714
159.080107378698 25.524
160.100676472032 21.8764
161.106664419535 28.322
162.947085951161 6.82001
167.082833671873 10.0798
168.087913756516 7.63386
169.097805245618 6.96301
171.10588408315 20.0003
172.114989383067 12.4344
173.092468272689 13.568
174.107119008959 10.0591
176.114836582797 4.44883
179.08624697681 5.98192
181.097511359313 14.5841
184.438400382288 4.4259
185.110913864779 9.16139
186.122672389014 22.3806
195.113605721346 7.44739
198.124525227224 24.3644
200.127976256199 10.9878
206.099282140331 5.53974
208.110255051037 12.8166
209.099836586391 6.99732
210.10373215167 7.02446
211.115215660073 7.62432
212.124187931213 4.75147
213.143763596396 10.6022
214.155854908531 8.375
219.113098288591 6.32916
220.111023334656 14.0089
221.133950551005 12.9757
222.12464583292 19.95
222.581837499681 5.69746
223.132878576083 13.1115
223.166859846057 5.77279
224.140116017894 7.07507
225.116578406747 6.02599
225.162416778311 4.66293
226.13279849056 8.31508
235.135213792993 10.7228
236.142436966845 28.8627
237.148382739746 5.30324
238.11670098693 4.93232
238.155717538404 9.56047
239.102000147734 4.92814
239.970334029916 5.08227
240.144590848192 5.893
248.127082810309 7.73849
251.1451209251 10.6479
261.150790548586 4.95153
262.160177375247 8.3526
263.148336751121 8.26998
264.148600578843 14.4881
265.151301961577 5.67943
266.155088778956 10.2234
269.15555182654 12.8435
273.152765867977 8.4829
274.158633925914 16.3088
275.152368428758 6.07704
277.183894431966 5.93614
280.159550493822 8.83539
281.118117926266 5.24587
281.178083551812 7.62455
284.206864819992 4.66293
288.177427421275 35.1442
289.188592022831 5.85607
290.195779482661 6.46226
302.151861884882 7.88948
312.173748977082 4.75163
314.083198355657 6.66316
314.187779350226 5.31902
324.177927803793 5.32374
332.197866090593 17.7529
333.19692727336 8.49346
338.178995632226 5.38968
345.205756233771 7.51818
354.212882452718 7.01742
358.215188724936 6.70589
360.236510261593 5.1237
372.236515586858 12.1697
415.248291465204 11.4154
428.264972570632 9.96124
430.275620504631 19.7276

